N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide

C12H23N3O — CID 79152562

IUPACN-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
SMILESO=C(NCC1CCCN1)N1CCCCCC1
InChIInChI=1S/C12H23N3O/c16-12(14-10-11-6-5-7-13-11)15-8-3-1-2-4-9-15/h11,13H,1-10H2,(H,14,16)
InChIKeyRCPIARDAWVECON-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.32
Rot. Bonds2

About N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide

N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide (PubChem CID 79152562) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
PubChem CID79152562
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
SMILESO=C(NCC1CCCN1)N1CCCCCC1
InChIInChI=1S/C12H23N3O/c16-12(14-10-11-6-5-7-13-11)15-8-3-1-2-4-9-15/h11,13H,1-10H2,(H,14,16)
InChIKeyRCPIARDAWVECON-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119512673
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
N-[(6-methylpiperidin-2-yl)methyl]piperidine-1-carboxamide
CID 79156068
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119510783
2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511838
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
CID 119761927
cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
CID 106637742

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide (CID 79152562) is N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide is O=C(NCC1CCCN1)N1CCCCCC1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide?
The InChIKey is RCPIARDAWVECON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(14-10-11-6-5-7-13-11)15-8-3-1-2-4-9-15/h11,13H,1-10H2,(H,14,16).
What are the key properties of N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide?
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 79152562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).