1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea

C17H25N7O — CID 126450941

IUPAC1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
SMILESO=C(NCC[C@@H]1CCCCN1Cc1ccccc1)NCc1nn[nH]n1
InChIInChI=1S/C17H25N7O/c25-17(19-12-16-20-22-23-21-16)18-10-9-15-8-4-5-11-24(15)13-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,18,19,25)(H,20,21,22,23)/t15-/m0/s1
InChIKeyOWHWKAPCYCEETQ-HNNXBMFYSA-N
MW343.44 g/mol
LogP1.44
Rot. Bonds7

About 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea

1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea (PubChem CID 126450941) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
PubChem CID126450941
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
SMILESO=C(NCC[C@@H]1CCCCN1Cc1ccccc1)NCc1nn[nH]n1
InChIInChI=1S/C17H25N7O/c25-17(19-12-16-20-22-23-21-16)18-10-9-15-8-4-5-11-24(15)13-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,18,19,25)(H,20,21,22,23)/t15-/m0/s1
InChIKeyOWHWKAPCYCEETQ-HNNXBMFYSA-N
XLogP1.44
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 137084168
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 126453267
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 125158764
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 155962236
N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118775600
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
(2S)-1-benzyl-2-propylpiperidine
CID 71407726

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea?
The IUPAC name of 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea (CID 126450941) is 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea is O=C(NCC[C@@H]1CCCCN1Cc1ccccc1)NCc1nn[nH]n1.
What is the InChIKey of 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea?
The InChIKey is OWHWKAPCYCEETQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N7O/c25-17(19-12-16-20-22-23-21-16)18-10-9-15-8-4-5-11-24(15)13-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,18,19,25)(H,20,21,22,23)/t15-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea?
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea has a molecular weight of 343.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea is sourced from PubChem (CID 126450941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).