(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

C17H27N5O — CID 95292469

IUPAC(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H27N5O/c1-14(16(23)20-17-18-7-4-8-19-17)22-11-5-15(6-12-22)13-21-9-2-3-10-21/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,18,19,20,23)/t14-/m0/s1
InChIKeyQXDITYSGOXYZMT-AWEZNQCLSA-N
MW317.44 g/mol
LogP1.61
Rot. Bonds5

About (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide

(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 95292469) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID95292469
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H27N5O/c1-14(16(23)20-17-18-7-4-8-19-17)22-11-5-15(6-12-22)13-21-9-2-3-10-21/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,18,19,20,23)/t14-/m0/s1
InChIKeyQXDITYSGOXYZMT-AWEZNQCLSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide (CID 95292469) is (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ncccn1)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is QXDITYSGOXYZMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N5O/c1-14(16(23)20-17-18-7-4-8-19-17)22-11-5-15(6-12-22)13-21-9-2-3-10-21/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,18,19,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide?
(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 317.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95292469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).