(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one

C17H25N5O2 — CID 97277218

IUPAC(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCC(c3nccn3CC3CC3)CC2)NC1=O
InChIInChI=1S/C17H25N5O2/c1-20-11-14(19-17(20)24)16(23)21-7-4-13(5-8-21)15-18-6-9-22(15)10-12-2-3-12/h6,9,12-14H,2-5,7-8,10-11H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyOQCXZLBVTXBXKB-AWEZNQCLSA-N
MW331.42 g/mol
LogP1.02
Rot. Bonds4

About (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one

(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one (PubChem CID 97277218) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one
PubChem CID97277218
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one
SMILESCN1C[C@@H](C(=O)N2CCC(c3nccn3CC3CC3)CC2)NC1=O
InChIInChI=1S/C17H25N5O2/c1-20-11-14(19-17(20)24)16(23)21-7-4-13(5-8-21)15-18-6-9-22(15)10-12-2-3-12/h6,9,12-14H,2-5,7-8,10-11H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyOQCXZLBVTXBXKB-AWEZNQCLSA-N
XLogP1.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
N-(dicyclopropylmethyl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53572946
N-(dicyclopropylmethyl)-2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 53582451
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
2-(Tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 56824877
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The IUPAC name of (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one (CID 97277218) is (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The canonical SMILES for (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one is CN1C[C@@H](C(=O)N2CCC(c3nccn3CC3CC3)CC2)NC1=O.
What is the InChIKey of (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
The InChIKey is OQCXZLBVTXBXKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-20-11-14(19-17(20)24)16(23)21-7-4-13(5-8-21)15-18-6-9-22(15)10-12-2-3-12/h6,9,12-14H,2-5,7-8,10-11H2,1H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one?
(4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 97277218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).