N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide

C20H31N5O — CID 46967148

IUPACN-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1
InChIInChI=1S/C20H31N5O/c26-19(16-5-1-2-6-16)22-17-8-13-24(14-9-17)15-18-7-10-21-20(23-18)25-11-3-4-12-25/h7,10,16-17H,1-6,8-9,11-15H2,(H,22,26)
InChIKeyVYONHMFJFFYDLC-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide

N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide (PubChem CID 46967148) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
PubChem CID46967148
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1
InChIInChI=1S/C20H31N5O/c26-19(16-5-1-2-6-16)22-17-8-13-24(14-9-17)15-18-7-10-21-20(23-18)25-11-3-4-12-25/h7,10,16-17H,1-6,8-9,11-15H2,(H,22,26)
InChIKeyVYONHMFJFFYDLC-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide (CID 46967148) is N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide is O=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1.
What is the InChIKey of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
The InChIKey is VYONHMFJFFYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c26-19(16-5-1-2-6-16)22-17-8-13-24(14-9-17)15-18-7-10-21-20(23-18)25-11-3-4-12-25/h7,10,16-17H,1-6,8-9,11-15H2,(H,22,26).
What are the key properties of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 46967148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).