N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C20H31N5O — CID 99929645

IUPACN-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@H]1CCCN(c2ncccn2)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C20H31N5O/c26-18(20(8-1-2-9-20)25-13-3-4-14-25)23-15-17-7-5-12-24(16-17)19-21-10-6-11-22-19/h6,10-11,17H,1-5,7-9,12-16H2,(H,23,26)/t17-/m1/s1
InChIKeyCFPAYXICYFAXJP-QGZVFWFLSA-N
MW357.50 g/mol
LogP2.22
Rot. Bonds5

About N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 99929645) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID99929645
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESO=C(NC[C@H]1CCCN(c2ncccn2)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C20H31N5O/c26-18(20(8-1-2-9-20)25-13-3-4-14-25)23-15-17-7-5-12-24(16-17)19-21-10-6-11-22-19/h6,10-11,17H,1-5,7-9,12-16H2,(H,23,26)/t17-/m1/s1
InChIKeyCFPAYXICYFAXJP-QGZVFWFLSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 99929645) is N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is O=C(NC[C@H]1CCCN(c2ncccn2)C1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is CFPAYXICYFAXJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O/c26-18(20(8-1-2-9-20)25-13-3-4-14-25)23-15-17-7-5-12-24(16-17)19-21-10-6-11-22-19/h6,10-11,17H,1-5,7-9,12-16H2,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 99929645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).