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

C17H27N5O — CID 53146129

IUPACN-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C17H27N5O/c1-13(2)20-16(23)14-5-9-21(10-6-14)15-11-18-17(19-12-15)22-7-3-4-8-22/h11-14H,3-10H2,1-2H3,(H,20,23)
InChIKeyAQUVLFFJRXGAJO-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.82
Rot. Bonds4

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

N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53146129) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53146129
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cnc(N3CCCC3)nc2)CC1
InChIInChI=1S/C17H27N5O/c1-13(2)20-16(23)14-5-9-21(10-6-14)15-11-18-17(19-12-15)22-7-3-4-8-22/h11-14H,3-10H2,1-2H3,(H,20,23)
InChIKeyAQUVLFFJRXGAJO-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53146129) is N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cnc(N3CCCC3)nc2)CC1.
What is the InChIKey of N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is AQUVLFFJRXGAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13(2)20-16(23)14-5-9-21(10-6-14)15-11-18-17(19-12-15)22-7-3-4-8-22/h11-14H,3-10H2,1-2H3,(H,20,23).
What are the key properties of N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53146129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).