(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one

C19H30N4O2 — CID 147782520

IUPAC(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one
SMILESCCC1([C@@H]2CC(=O)N(C)C(N)N2)CCCN(c2cccc(OC)c2)C1
InChIInChI=1S/C19H30N4O2/c1-4-19(16-12-17(24)22(2)18(20)21-16)9-6-10-23(13-19)14-7-5-8-15(11-14)25-3/h5,7-8,11,16,18,21H,4,6,9-10,12-13,20H2,1-3H3/t16-,18?,19?/m0/s1
InChIKeyHIBDNUOKSXWPHR-IVMQYODDSA-N
MW346.48 g/mol
LogP1.75
Rot. Bonds4

About (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one

(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one (PubChem CID 147782520) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one
PubChem CID147782520
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one
SMILESCCC1([C@@H]2CC(=O)N(C)C(N)N2)CCCN(c2cccc(OC)c2)C1
InChIInChI=1S/C19H30N4O2/c1-4-19(16-12-17(24)22(2)18(20)21-16)9-6-10-23(13-19)14-7-5-8-15(11-14)25-3/h5,7-8,11,16,18,21H,4,6,9-10,12-13,20H2,1-3H3/t16-,18?,19?/m0/s1
InChIKeyHIBDNUOKSXWPHR-IVMQYODDSA-N
XLogP1.75
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 115042632
3,3-diethyl-1-(3-methoxyphenyl)-1,4-diazepane
CID 64945493
[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97140954
3,3-diethyl-1-(3-methoxyphenyl)piperazine
CID 64926809
1-(3-methoxyphenyl)azepane
CID 57276431
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
6-amino-1-(3-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 78442416
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135108773

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one?
The IUPAC name of (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one (CID 147782520) is (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one.
What is the SMILES notation for (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one?
The canonical SMILES for (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one is CCC1([C@@H]2CC(=O)N(C)C(N)N2)CCCN(c2cccc(OC)c2)C1.
What is the InChIKey of (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one?
The InChIKey is HIBDNUOKSXWPHR-IVMQYODDSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-19(16-12-17(24)22(2)18(20)21-16)9-6-10-23(13-19)14-7-5-8-15(11-14)25-3/h5,7-8,11,16,18,21H,4,6,9-10,12-13,20H2,1-3H3/t16-,18?,19?/m0/s1.
What are the key properties of (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one?
(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one has a molecular weight of 346.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 147782520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).