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

C19H29N5O2 — CID 53165601

IUPACN-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(c2cncnc2N2CCCC2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(21-12-16-4-3-11-26-16)15-5-9-23(10-6-15)17-13-20-14-22-18(17)24-7-1-2-8-24/h13-16H,1-12H2,(H,21,25)
InChIKeyQWDWJGJUXNINFU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.59
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165601) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165601
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(c2cncnc2N2CCCC2)CC1
InChIInChI=1S/C19H29N5O2/c25-19(21-12-16-4-3-11-26-16)15-5-9-23(10-6-15)17-13-20-14-22-18(17)24-7-1-2-8-24/h13-16H,1-12H2,(H,21,25)
InChIKeyQWDWJGJUXNINFU-UHFFFAOYSA-N
XLogP1.59
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165601) is N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(c2cncnc2N2CCCC2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is QWDWJGJUXNINFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-19(21-12-16-4-3-11-26-16)15-5-9-23(10-6-15)17-13-20-14-22-18(17)24-7-1-2-8-24/h13-16H,1-12H2,(H,21,25).
What are the key properties of N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).