N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide

C15H21N7O — CID 124843892

IUPACN-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnnn1C
InChIInChI=1S/C15H21N7O/c1-12(14-17-18-19-20(14)2)16-15(23)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,23)/t12-/m0/s1
InChIKeyFIXIMQMZDZELOT-LBPRGKRZSA-N
MW315.38 g/mol
LogP0.80
Rot. Bonds3

About N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide

N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 124843892) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
PubChem CID124843892
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnnn1C
InChIInChI=1S/C15H21N7O/c1-12(14-17-18-19-20(14)2)16-15(23)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,23)/t12-/m0/s1
InChIKeyFIXIMQMZDZELOT-LBPRGKRZSA-N
XLogP0.80
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide (CID 124843892) is N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnnn1C.
What is the InChIKey of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is FIXIMQMZDZELOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N7O/c1-12(14-17-18-19-20(14)2)16-15(23)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 124843892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).