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

C19H29N5O — CID 53146139

IUPACN-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C19H29N5O/c25-18(22-16-5-1-2-6-16)15-7-11-23(12-8-15)17-13-20-19(21-14-17)24-9-3-4-10-24/h13-16H,1-12H2,(H,22,25)
InChIKeyVXJSMYSJBCPLRG-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.35
Rot. Bonds4

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

N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53146139) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53146139
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C19H29N5O/c25-18(22-16-5-1-2-6-16)15-7-11-23(12-8-15)17-13-20-19(21-14-17)24-9-3-4-10-24/h13-16H,1-12H2,(H,22,25)
InChIKeyVXJSMYSJBCPLRG-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
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-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53146139) is N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is VXJSMYSJBCPLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-18(22-16-5-1-2-6-16)15-7-11-23(12-8-15)17-13-20-19(21-14-17)24-9-3-4-10-24/h13-16H,1-12H2,(H,22,25).
What are the key properties of N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53146139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).