cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone

C14H25N3O — CID 106637742

IUPACcyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCC2CCCN2)CC1
InChIInChI=1S/C14H25N3O/c18-14(11-3-4-11)17-8-5-12(6-9-17)16-10-13-2-1-7-15-13/h11-13,15-16H,1-10H2
InChIKeyNBDQWBNFCHBFOV-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds4

About cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 106637742) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
PubChem CID106637742
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Namecyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCC2CCCN2)CC1
InChIInChI=1S/C14H25N3O/c18-14(11-3-4-11)17-8-5-12(6-9-17)16-10-13-2-1-7-15-13/h11-13,15-16H,1-10H2
InChIKeyNBDQWBNFCHBFOV-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 106637739
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119623859
cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
CID 63952287
1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119512673
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
1-butyl-N-(pyrrolidin-2-ylmethyl)piperidin-4-amine
CID 106637748

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone (CID 106637742) is cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCC2CCCN2)CC1.
What is the InChIKey of cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is NBDQWBNFCHBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(11-3-4-11)17-8-5-12(6-9-17)16-10-13-2-1-7-15-13/h11-13,15-16H,1-10H2.
What are the key properties of cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 251.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 106637742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).