N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide

C24H27N5O — CID 45243187

IUPACN-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESNc1ncc(CN2CCCC(CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1
InChIInChI=1S/C24H27N5O/c25-24-27-14-19(15-28-24)17-29-12-4-5-18(16-29)13-26-23(30)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-3,6-11,14-15,18H,4-5,12-13,16-17H2,(H,26,30)(H2,25,27,28)
InChIKeyFHKAUEXPPUPWKH-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.37
Rot. Bonds6

About N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide

N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide (PubChem CID 45243187) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
PubChem CID45243187
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESNc1ncc(CN2CCCC(CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1
InChIInChI=1S/C24H27N5O/c25-24-27-14-19(15-28-24)17-29-12-4-5-18(16-29)13-26-23(30)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-3,6-11,14-15,18H,4-5,12-13,16-17H2,(H,26,30)(H2,25,27,28)
InChIKeyFHKAUEXPPUPWKH-UHFFFAOYSA-N
XLogP3.37
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97282396
4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 72891106
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95196955
1-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95230761

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide (CID 45243187) is N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide is Nc1ncc(CN2CCCC(CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1.
What is the InChIKey of N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The InChIKey is FHKAUEXPPUPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c25-24-27-14-19(15-28-24)17-29-12-4-5-18(16-29)13-26-23(30)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-3,6-11,14-15,18H,4-5,12-13,16-17H2,(H,26,30)(H2,25,27,28).
What are the key properties of N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide has a molecular weight of 401.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 45243187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).