2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide

C14H22N4O — CID 81404554

IUPAC2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCCNCC1)c1cccnc1
InChIInChI=1S/C14H22N4O/c1-12(13-4-2-5-16-10-13)17-14(19)11-18-8-3-6-15-7-9-18/h2,4-5,10,12,15H,3,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeySQJAWYCOACVGCV-GFCCVEGCSA-N
MW262.36 g/mol
LogP0.55
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide

2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide (PubChem CID 81404554) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
PubChem CID81404554
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCCNCC1)c1cccnc1
InChIInChI=1S/C14H22N4O/c1-12(13-4-2-5-16-10-13)17-14(19)11-18-8-3-6-15-7-9-18/h2,4-5,10,12,15H,3,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeySQJAWYCOACVGCV-GFCCVEGCSA-N
XLogP0.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide (CID 81404554) is 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide is C[C@@H](NC(=O)CN1CCCNCC1)c1cccnc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is SQJAWYCOACVGCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(13-4-2-5-16-10-13)17-14(19)11-18-8-3-6-15-7-9-18/h2,4-5,10,12,15H,3,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 81404554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).