(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide

C16H28N6O — CID 97227008

IUPAC(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC[C@@H]1CCCCN1C(=O)NCc1nnnn1C1CC1
InChIInChI=1S/C16H28N6O/c1-12(2)6-7-13-5-3-4-10-21(13)16(23)17-11-15-18-19-20-22(15)14-8-9-14/h12-14H,3-11H2,1-2H3,(H,17,23)/t13-/m0/s1
InChIKeyDYMVYVGWBIDMTR-ZDUSSCGKSA-N
MW320.44 g/mol
LogP2.51
Rot. Bonds6

About (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide

(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 97227008) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID97227008
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC[C@@H]1CCCCN1C(=O)NCc1nnnn1C1CC1
InChIInChI=1S/C16H28N6O/c1-12(2)6-7-13-5-3-4-10-21(13)16(23)17-11-15-18-19-20-22(15)14-8-9-14/h12-14H,3-11H2,1-2H3,(H,17,23)/t13-/m0/s1
InChIKeyDYMVYVGWBIDMTR-ZDUSSCGKSA-N
XLogP2.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 97074229
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
(3R)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 96995558
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490901
1-[(2S)-2-[(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95612765

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide (CID 97227008) is (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CC[C@@H]1CCCCN1C(=O)NCc1nnnn1C1CC1.
What is the InChIKey of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is DYMVYVGWBIDMTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N6O/c1-12(2)6-7-13-5-3-4-10-21(13)16(23)17-11-15-18-19-20-22(15)14-8-9-14/h12-14H,3-11H2,1-2H3,(H,17,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide?
(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 97227008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).