N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide

C21H27N5O — CID 125444699

IUPACN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C21H27N5O/c27-21(25-13-11-24(12-14-25)20-7-4-9-22-16-20)23-15-18-8-10-26(17-18)19-5-2-1-3-6-19/h1-7,9,16,18H,8,10-15,17H2,(H,23,27)/t18-/m0/s1
InChIKeyILLUYPNGDROUOA-SFHVURJKSA-N
MW365.48 g/mol
LogP2.44
Rot. Bonds4

About N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 125444699) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID125444699
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C21H27N5O/c27-21(25-13-11-24(12-14-25)20-7-4-9-22-16-20)23-15-18-8-10-26(17-18)19-5-2-1-3-6-19/h1-7,9,16,18H,8,10-15,17H2,(H,23,27)/t18-/m0/s1
InChIKeyILLUYPNGDROUOA-SFHVURJKSA-N
XLogP2.44
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
CID 55809651
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119525
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 94021406
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 94021405
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide (CID 125444699) is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide is O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCN(c2cccnc2)CC1.
What is the InChIKey of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is ILLUYPNGDROUOA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(25-13-11-24(12-14-25)20-7-4-9-22-16-20)23-15-18-8-10-26(17-18)19-5-2-1-3-6-19/h1-7,9,16,18H,8,10-15,17H2,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 125444699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).