N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

C17H28N4O — CID 48791325

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C17H28N4O/c1-14-6-2-3-11-20(14)13-10-19-17(22)21-12-5-8-16(21)15-7-4-9-18-15/h4,7,9,14,16,18H,2-3,5-6,8,10-13H2,1H3,(H,19,22)
InChIKeyKCKXSHFYVGNUSE-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 48791325) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID48791325
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C17H28N4O/c1-14-6-2-3-11-20(14)13-10-19-17(22)21-12-5-8-16(21)15-7-4-9-18-15/h4,7,9,14,16,18H,2-3,5-6,8,10-13H2,1H3,(H,19,22)
InChIKeyKCKXSHFYVGNUSE-UHFFFAOYSA-N
XLogP2.74
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide
CID 94099341
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95604428
(2R)-N-[(1-cyclopropylcyclobutyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 99634075
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 167756273
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 94115247
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456
(2S)-1-(cyclopentanecarbonyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 95280772
2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
CID 104569593

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (CID 48791325) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is CC1CCCCN1CCNC(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is KCKXSHFYVGNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-6-2-3-11-20(14)13-10-19-17(22)21-12-5-8-16(21)15-7-4-9-18-15/h4,7,9,14,16,18H,2-3,5-6,8,10-13H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 48791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).