(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride

C17H27ClN6O — CID 154913430

IUPAC(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCCCN1
InChIInChI=1S/C17H26N6O.ClH/c24-15(14-3-1-2-4-18-14)21-16-6-12-5-13(7-16)9-17(8-12,10-16)23-20-11-19-22-23;/h11-14,18H,1-10H2,(H,21,24);1H/t12?,13?,14-,16?,17?;/m0./s1
InChIKeyYVRCRVBYLOBCHQ-DNSMMRBLSA-N
MW366.90 g/mol
LogP1.40
Rot. Bonds3

About (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 154913430) has the molecular formula C17H27ClN6O and a molecular weight of 366.90 g/mol. Its IUPAC name is (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride
PubChem CID154913430
Molecular FormulaC17H27ClN6O
Molecular Weight366.90 g/mol
Exact Mass366.19
IUPAC Name(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCCCN1
InChIInChI=1S/C17H26N6O.ClH/c24-15(14-3-1-2-4-18-14)21-16-6-12-5-13(7-16)9-17(8-12,10-16)23-20-11-19-22-23;/h11-14,18H,1-10H2,(H,21,24);1H/t12?,13?,14-,16?,17?;/m0./s1
InChIKeyYVRCRVBYLOBCHQ-DNSMMRBLSA-N
XLogP1.40
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4,6-dimethyl-2-oxo-N-[(5R,7S)-3-(tetrazol-2-yl)-1-adamantyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95215791
1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
CID 131932557
3-(2-aminopyrimidin-5-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]prop-2-enamide
CID 171139595
4-[(5-methyltetrazol-1-yl)methyl]-N-[3-(tetrazol-2-yl)-1-adamantyl]benzamide
CID 131931453
(2S)-N-(2-adamantyl)piperidine-2-carboxamide
CID 104913047
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
(2R)-N-(thiadiazol-5-yl)piperidine-2-carboxamide
CID 104982945
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244
(2R)-N-(1-adamantylmethyl)pyrrolidine-2-carboxamide
CID 103793910
azepane-2-carbohydrazide
CID 64570757
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
N-[6-(piperidine-2-carbonylamino)piperidin-2-yl]piperidine-2-carboxamide
CID 4867709

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride (CID 154913430) is (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NC12CC3CC(C1)CC(n1ncnn1)(C3)C2)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is YVRCRVBYLOBCHQ-DNSMMRBLSA-N. The full InChI is InChI=1S/C17H26N6O.ClH/c24-15(14-3-1-2-4-18-14)21-16-6-12-5-13(7-16)9-17(8-12,10-16)23-20-11-19-22-23;/h11-14,18H,1-10H2,(H,21,24);1H/t12?,13?,14-,16?,17?;/m0./s1.
What are the key properties of (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 366.90 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154913430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).