N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide

C26H35N5O3 — CID 153206715

IUPACN-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(CC2CCCCN2c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H35N5O3/c1-33-22-9-7-19(8-10-22)16-21-4-2-3-11-31(21)26-28-23(25(32)27-18-20-5-6-20)17-24(29-26)30-12-14-34-15-13-30/h7-10,17,20-21H,2-6,11-16,18H2,1H3,(H,27,32)
InChIKeyWKYSLHMWXDXPRV-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.06
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153206715) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153206715
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(CC2CCCCN2c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H35N5O3/c1-33-22-9-7-19(8-10-22)16-21-4-2-3-11-31(21)26-28-23(25(32)27-18-20-5-6-20)17-24(29-26)30-12-14-34-15-13-30/h7-10,17,20-21H,2-6,11-16,18H2,1H3,(H,27,32)
InChIKeyWKYSLHMWXDXPRV-UHFFFAOYSA-N
XLogP3.06
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153206715) is N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide is COc1ccc(CC2CCCCN2c2nc(C(=O)NCC3CC3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is WKYSLHMWXDXPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-33-22-9-7-19(8-10-22)16-21-4-2-3-11-31(21)26-28-23(25(32)27-18-20-5-6-20)17-24(29-26)30-12-14-34-15-13-30/h7-10,17,20-21H,2-6,11-16,18H2,1H3,(H,27,32).
What are the key properties of N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-[(4-methoxyphenyl)methyl]piperidin-1-yl]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153206715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).