N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide

C18H29N5O — CID 95876230

IUPACN-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1
InChIInChI=1S/C18H29N5O/c1-3-19-18(24)13-22-8-6-7-15(12-22)16-11-17(21-14(2)20-16)23-9-4-5-10-23/h11,15H,3-10,12-13H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyVVBGYEZUBIANJX-HNNXBMFYSA-N
MW331.46 g/mol
LogP1.70
Rot. Bonds5

About N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide

N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide (PubChem CID 95876230) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
PubChem CID95876230
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1
InChIInChI=1S/C18H29N5O/c1-3-19-18(24)13-22-8-6-7-15(12-22)16-11-17(21-14(2)20-16)23-9-4-5-10-23/h11,15H,3-10,12-13H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyVVBGYEZUBIANJX-HNNXBMFYSA-N
XLogP1.70
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95871480
N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 56881607
1-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95896261
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285
(5-ethyl-1H-pyrazol-4-yl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95862072
(5-methyl-3-pyridinyl)-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70705436
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006
(3-hydroxy-4-methylphenyl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95870156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide (CID 95876230) is N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide is CCNC(=O)CN1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1.
What is the InChIKey of N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The InChIKey is VVBGYEZUBIANJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-19-18(24)13-22-8-6-7-15(12-22)16-11-17(21-14(2)20-16)23-9-4-5-10-23/h11,15H,3-10,12-13H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide?
N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95876230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).