2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide

C13H24N4O2 — CID 54873622

IUPAC2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H24N4O2/c14-12(18)10-16-6-1-7-17(9-8-16)13(19)11-2-4-15-5-3-11/h11,15H,1-10H2,(H2,14,18)
InChIKeyFYBDCYWSAZPWOG-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.99
Rot. Bonds3

About 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide

2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 54873622) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID54873622
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C13H24N4O2/c14-12(18)10-16-6-1-7-17(9-8-16)13(19)11-2-4-15-5-3-11/h11,15H,1-10H2,(H2,14,18)
InChIKeyFYBDCYWSAZPWOG-UHFFFAOYSA-N
XLogP-0.99
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
2-[4-(2-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64822046
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
2-[3-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 82511336
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
2-(azetidin-1-yl)acetamide
CID 18923030
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid
CID 139720169
2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 79210332

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 54873622) is 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is FYBDCYWSAZPWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c14-12(18)10-16-6-1-7-17(9-8-16)13(19)11-2-4-15-5-3-11/h11,15H,1-10H2,(H2,14,18).
What are the key properties of 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 54873622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).