N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide

C17H27N5O2 — CID 97125390

IUPACN-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(N(C)C)nc1C
InChIInChI=1S/C17H27N5O2/c1-12-15(11-19-17(20-12)21(3)4)16(24)22-10-6-5-7-14(22)8-9-18-13(2)23/h11,14H,5-10H2,1-4H3,(H,18,23)/t14-/m0/s1
InChIKeyITGUMJJYWMZGMW-AWEZNQCLSA-N
MW333.44 g/mol
LogP1.37
Rot. Bonds5

About N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide

N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 97125390) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
PubChem CID97125390
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(N(C)C)nc1C
InChIInChI=1S/C17H27N5O2/c1-12-15(11-19-17(20-12)21(3)4)16(24)22-10-6-5-7-14(22)8-9-18-13(2)23/h11,14H,5-10H2,1-4H3,(H,18,23)/t14-/m0/s1
InChIKeyITGUMJJYWMZGMW-AWEZNQCLSA-N
XLogP1.37
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125389
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
CID 97271863
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
N-[2-[(2R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632162
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 125160143
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 95861478
[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 97192875

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide (CID 97125390) is N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(N(C)C)nc1C.
What is the InChIKey of N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is ITGUMJJYWMZGMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-15(11-19-17(20-12)21(3)4)16(24)22-10-6-5-7-14(22)8-9-18-13(2)23/h11,14H,5-10H2,1-4H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 97125390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).