N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide

C19H30N4O — CID 70737977

IUPACN-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4O/c1-15(24)20-11-16-7-9-23(10-8-16)14-17-12-21-19(22-13-17)18-5-3-2-4-6-18/h12-13,16,18H,2-11,14H2,1H3,(H,20,24)
InChIKeyWNXKANZXWRCGKF-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.87
Rot. Bonds5

About N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 70737977) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID70737977
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4O/c1-15(24)20-11-16-7-9-23(10-8-16)14-17-12-21-19(22-13-17)18-5-3-2-4-6-18/h12-13,16,18H,2-11,14H2,1H3,(H,20,24)
InChIKeyWNXKANZXWRCGKF-UHFFFAOYSA-N
XLogP2.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736984
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103728195
N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95196955
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[[1-[[4-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 70774921
1-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95230761
N-[[1-[(5-cyano-1-ethylpyrrol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 70741175
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99942839

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 70737977) is N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cnc(C3CCCCC3)nc2)CC1.
What is the InChIKey of N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WNXKANZXWRCGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15(24)20-11-16-7-9-23(10-8-16)14-17-12-21-19(22-13-17)18-5-3-2-4-6-18/h12-13,16,18H,2-11,14H2,1H3,(H,20,24).
What are the key properties of N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 330.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70737977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).