(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H30N4O — CID 61019778

IUPAC(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCN1CCCN(C(=O)C2CCCN2C2CCNCC2)CC1
InChIInChI=1S/C16H30N4O/c1-18-9-3-10-19(13-12-18)16(21)15-4-2-11-20(15)14-5-7-17-8-6-14/h14-15,17H,2-13H2,1H3
InChIKeyTVNVEKMTZODLHQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.37
Rot. Bonds2

About (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 61019778) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID61019778
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCN1CCCN(C(=O)C2CCCN2C2CCNCC2)CC1
InChIInChI=1S/C16H30N4O/c1-18-9-3-10-19(13-12-18)16(21)15-4-2-11-20(15)14-5-7-17-8-6-14/h14-15,17H,2-13H2,1H3
InChIKeyTVNVEKMTZODLHQ-UHFFFAOYSA-N
XLogP0.37
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61285740
[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65085268
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 115965183
2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604814
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 61019778) is (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is CN1CCCN(C(=O)C2CCCN2C2CCNCC2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is TVNVEKMTZODLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-18-9-3-10-19(13-12-18)16(21)15-4-2-11-20(15)14-5-7-17-8-6-14/h14-15,17H,2-13H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 61019778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).