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

C21H27N5O — CID 53146132

IUPACN-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C21H27N5O/c27-20(22-14-17-6-2-1-3-7-17)18-8-12-25(13-9-18)19-15-23-21(24-16-19)26-10-4-5-11-26/h1-3,6-7,15-16,18H,4-5,8-14H2,(H,22,27)
InChIKeyDPYMIIGHMJFUSL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.61
Rot. Bonds5

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

N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53146132) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53146132
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C21H27N5O/c27-20(22-14-17-6-2-1-3-7-17)18-8-12-25(13-9-18)19-15-23-21(24-16-19)26-10-4-5-11-26/h1-3,6-7,15-16,18H,4-5,8-14H2,(H,22,27)
InChIKeyDPYMIIGHMJFUSL-UHFFFAOYSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
CID 157018162
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53146132) is N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(c2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is DPYMIIGHMJFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-20(22-14-17-6-2-1-3-7-17)18-8-12-25(13-9-18)19-15-23-21(24-16-19)26-10-4-5-11-26/h1-3,6-7,15-16,18H,4-5,8-14H2,(H,22,27).
What are the key properties of N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53146132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).