(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C16H25N3O2 — CID 70732420

IUPAC(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C16H25N3O2/c1-12(20)16(21)18-8-5-14(6-9-18)15-17-7-10-19(15)11-13-3-2-4-13/h7,10,12-14,20H,2-6,8-9,11H2,1H3/t12-/m0/s1
InChIKeyBEWJUKQEGMMSLB-LBPRGKRZSA-N
MW291.39 g/mol
LogP1.77
Rot. Bonds4

About (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one

(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 70732420) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID70732420
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C16H25N3O2/c1-12(20)16(21)18-8-5-14(6-9-18)15-17-7-10-19(15)11-13-3-2-4-13/h7,10,12-14,20H,2-6,8-9,11H2,1H3/t12-/m0/s1
InChIKeyBEWJUKQEGMMSLB-LBPRGKRZSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-(hydroxymethyl)-3-piperidinol
CID 56912514
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
(1-methyl-1H-imidazol-2-yl){1-[(1-propyl-4-piperidinyl)acetyl]-4-piperidinyl}methanol
CID 72849022
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
{1-[(1-isopropyl-4-piperidinyl)carbonyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72881062
{1-[(1-isopropyl-4-piperidinyl)acetyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72890404
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72924602
1-(cyclopropylcarbonyl)-N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinecarboxamide
CID 72926706
4-(1-methyl-1H-imidazol-2-yl)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidine
CID 72935564
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(ethoxyacetyl)piperidine
CID 72937922

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 70732420) is (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is BEWJUKQEGMMSLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(20)16(21)18-8-5-14(6-9-18)15-17-7-10-19(15)11-13-3-2-4-13/h7,10,12-14,20H,2-6,8-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 70732420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).