4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide

C17H28N4O2 — CID 125158263

IUPAC4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
SMILESO=C(CCCn1ccnc1)NC1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C17H28N4O2/c22-17(4-1-8-21-11-7-18-14-21)19-15-5-9-20(10-6-15)13-16-3-2-12-23-16/h7,11,14-16H,1-6,8-10,12-13H2,(H,19,22)/t16-/m0/s1
InChIKeyRVDABVZSTQPZPI-INIZCTEOSA-N
MW320.44 g/mol
LogP1.42
Rot. Bonds7

About 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide

4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide (PubChem CID 125158263) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
PubChem CID125158263
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
SMILESO=C(CCCn1ccnc1)NC1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C17H28N4O2/c22-17(4-1-8-21-11-7-18-14-21)19-15-5-9-20(10-6-15)13-16-3-2-12-23-16/h7,11,14-16H,1-6,8-10,12-13H2,(H,19,22)/t16-/m0/s1
InChIKeyRVDABVZSTQPZPI-INIZCTEOSA-N
XLogP1.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
5-(imidazol-1-ylmethyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 118795926
4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 99790250
N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 86990220
N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-4-imidazol-1-ylbutanamide
CID 95853122
imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 9115551
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
CID 66213092
N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
CID 65164054

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide (CID 125158263) is 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide is O=C(CCCn1ccnc1)NC1CCN(C[C@@H]2CCCO2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide?
The InChIKey is RVDABVZSTQPZPI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-17(4-1-8-21-11-7-18-14-21)19-15-5-9-20(10-6-15)13-16-3-2-12-23-16/h7,11,14-16H,1-6,8-10,12-13H2,(H,19,22)/t16-/m0/s1.
What are the key properties of 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide?
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 125158263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).