2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C25H33N5O2 — CID 153321127

IUPAC2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2Cc2ccccc2)n1
InChIInChI=1S/C25H33N5O2/c31-24(26-18-20-9-10-20)22-17-23(29-12-14-32-15-13-29)28-25(27-22)30-11-5-4-8-21(30)16-19-6-2-1-3-7-19/h1-3,6-7,17,20-21H,4-5,8-16,18H2,(H,26,31)
InChIKeyHCKTXJOGDLHWCY-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.05
Rot. Bonds7

About 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321127) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321127
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2Cc2ccccc2)n1
InChIInChI=1S/C25H33N5O2/c31-24(26-18-20-9-10-20)22-17-23(29-12-14-32-15-13-29)28-25(27-22)30-11-5-4-8-21(30)16-19-6-2-1-3-7-19/h1-3,6-7,17,20-21H,4-5,8-16,18H2,(H,26,31)
InChIKeyHCKTXJOGDLHWCY-UHFFFAOYSA-N
XLogP3.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321127) is 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCOCC2)nc(N2CCCCC2Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is HCKTXJOGDLHWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-24(26-18-20-9-10-20)22-17-23(29-12-14-32-15-13-29)28-25(27-22)30-11-5-4-8-21(30)16-19-6-2-1-3-7-19/h1-3,6-7,17,20-21H,4-5,8-16,18H2,(H,26,31).
What are the key properties of 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpiperidin-1-yl)-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).