N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide

C19H35N7O — CID 25450009

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCN2C)CC1
InChIInChI=1S/C19H35N7O/c1-16-8-12-25(13-9-16)15-18-20-21-22-26(18)11-5-7-19(27)24(3)14-17-6-4-10-23(17)2/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeyGRXZECKRAOPMPV-KRWDZBQOSA-N
MW377.54 g/mol
LogP1.24
Rot. Bonds8

About N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide (PubChem CID 25450009) has the molecular formula C19H35N7O and a molecular weight of 377.54 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide
PubChem CID25450009
Molecular FormulaC19H35N7O
Molecular Weight377.54 g/mol
Exact Mass377.29
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCN2C)CC1
InChIInChI=1S/C19H35N7O/c1-16-8-12-25(13-9-16)15-18-20-21-22-26(18)11-5-7-19(27)24(3)14-17-6-4-10-23(17)2/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeyGRXZECKRAOPMPV-KRWDZBQOSA-N
XLogP1.24
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide (CID 25450009) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(C)C[C@@H]2CCCN2C)CC1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide?
The InChIKey is GRXZECKRAOPMPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35N7O/c1-16-8-12-25(13-9-16)15-18-20-21-22-26(18)11-5-7-19(27)24(3)14-17-6-4-10-23(17)2/h16-17H,4-15H2,1-3H3/t17-/m0/s1.
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide has a molecular weight of 377.54 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide is sourced from PubChem (CID 25450009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).