N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

C20H32N6O — CID 53146169

IUPACN-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C20H32N6O/c27-19(21-7-14-24-8-1-2-9-24)17-5-12-25(13-6-17)18-15-22-20(23-16-18)26-10-3-4-11-26/h15-17H,1-14H2,(H,21,27)
InChIKeyVWFNMOOEQROGQK-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.51
Rot. Bonds6

About N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53146169) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53146169
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C20H32N6O/c27-19(21-7-14-24-8-1-2-9-24)17-5-12-25(13-6-17)18-15-22-20(23-16-18)26-10-3-4-11-26/h15-17H,1-14H2,(H,21,27)
InChIKeyVWFNMOOEQROGQK-UHFFFAOYSA-N
XLogP1.51
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 44565889
cis-((R)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565890
cis-((S)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565891
Jak1/tyk2-IN-4
CID 162351808
8-[5-Methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351819
8-[5-Methyl-2-[[1-(trideuteriomethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 166632362
8-[2-[(1-Methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351829
2-[2-((2S,3'S)-2-Methyl-[1,3']bipyrrolidinyl-1'-yl)-pyrimidin-5-yl]-1-oxo-2,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CID 54591079
1-cyclopentyl-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 51081168
N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide
CID 53014762
3,3-dimethyl-N~1~-(2-piperidino-5-pyrimidinyl)butanamide
CID 53164677
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53146169) is N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NCCN1CCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is VWFNMOOEQROGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c27-19(21-7-14-24-8-1-2-9-24)17-5-12-25(13-6-17)18-15-22-20(23-16-18)26-10-3-4-11-26/h15-17H,1-14H2,(H,21,27).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53146169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).