1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

C27H40N4O5 — CID 156707443

IUPAC1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC(OC3CCN(CCC(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C27H40N4O5/c1-19(2)6-12-29-13-7-21(8-14-29)36-22-9-15-30(16-10-22)26(33)20-4-5-24(35-3)23(18-20)31-17-11-25(32)28-27(31)34/h4-5,18-19,21-22H,6-17H2,1-3H3,(H,28,32,34)
InChIKeyZRQURHQDDVXUQL-UHFFFAOYSA-N
MW500.64 g/mol
LogP3.27
Rot. Bonds8

About 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 156707443) has the molecular formula C27H40N4O5 and a molecular weight of 500.64 g/mol. Its IUPAC name is 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID156707443
Molecular FormulaC27H40N4O5
Molecular Weight500.64 g/mol
Exact Mass500.30
IUPAC Name1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC(OC3CCN(CCC(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C27H40N4O5/c1-19(2)6-12-29-13-7-21(8-14-29)36-22-9-15-30(16-10-22)26(33)20-4-5-24(35-3)23(18-20)31-17-11-25(32)28-27(31)34/h4-5,18-19,21-22H,6-17H2,1-3H3,(H,28,32,34)
InChIKeyZRQURHQDDVXUQL-UHFFFAOYSA-N
XLogP3.27
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propanoic acid
CID 171800036
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 165372779
tert-butyl 6-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperazin-1-yl]hexanoate
CID 164851150
1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 172604784
tert-butyl 5-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperazin-1-yl]pentanoate
CID 164851300
4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]butanal
CID 162721674
3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 171484980
N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009
1-[5-(4-cyclohexyloxypiperidine-1-carbonyl)-2-methoxyphenyl]-1,3-diazinane-2,4-dione;4-(4-hydroxyphenyl)-2H-2,7-naphthyridin-1-one
CID 169241630
N-[2-[1-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051246
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 167439984

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (CID 156707443) is 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is COc1ccc(C(=O)N2CCC(OC3CCN(CCC(C)C)CC3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZRQURHQDDVXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O5/c1-19(2)6-12-29-13-7-21(8-14-29)36-22-9-15-30(16-10-22)26(33)20-4-5-24(35-3)23(18-20)31-17-11-25(32)28-27(31)34/h4-5,18-19,21-22H,6-17H2,1-3H3,(H,28,32,34).
What are the key properties of 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 500.64 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156707443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).