N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide

C19H27N5O2 — CID 128839198

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H27N5O2/c1-14(18-21-16-4-2-3-5-17(16)22-18)20-19(25)24-10-8-23(9-11-24)15-6-12-26-13-7-15/h2-5,14-15H,6-13H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1
InChIKeyBXBJBBDAEFEDNZ-AWEZNQCLSA-N
MW357.46 g/mol
LogP2.13
Rot. Bonds3

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 128839198) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID128839198
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H27N5O2/c1-14(18-21-16-4-2-3-5-17(16)22-18)20-19(25)24-10-8-23(9-11-24)15-6-12-26-13-7-15/h2-5,14-15H,6-13H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1
InChIKeyBXBJBBDAEFEDNZ-AWEZNQCLSA-N
XLogP2.13
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-ethylpyrrolidine-1-carboxamide
CID 124589881
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 84594730
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 126440866
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99830093
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124620774
1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
CID 171336437
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
CID 62669156
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide (CID 128839198) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is BXBJBBDAEFEDNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(18-21-16-4-2-3-5-17(16)22-18)20-19(25)24-10-8-23(9-11-24)15-6-12-26-13-7-15/h2-5,14-15H,6-13H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 128839198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).