N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

C19H35N7O2 — CID 25483900

IUPACN-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCC[C@H](O)C2)CC1
InChIInChI=1S/C19H35N7O2/c1-16-6-11-25(12-7-16)15-18-21-22-23-26(18)10-3-5-19(28)20-8-13-24-9-2-4-17(27)14-24/h16-17,27H,2-15H2,1H3,(H,20,28)/t17-/m0/s1
InChIKeyPZTSSXDJEACXJZ-KRWDZBQOSA-N
MW393.54 g/mol
LogP0.26
Rot. Bonds9

About N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 25483900) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
PubChem CID25483900
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC NameN-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCC[C@H](O)C2)CC1
InChIInChI=1S/C19H35N7O2/c1-16-6-11-25(12-7-16)15-18-21-22-23-26(18)10-3-5-19(28)20-8-13-24-9-2-4-17(27)14-24/h16-17,27H,2-15H2,1H3,(H,20,28)/t17-/m0/s1
InChIKeyPZTSSXDJEACXJZ-KRWDZBQOSA-N
XLogP0.26
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The IUPAC name of N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 25483900) is N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.
What is the SMILES notation for N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The canonical SMILES for N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)NCCN2CCC[C@H](O)C2)CC1.
What is the InChIKey of N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The InChIKey is PZTSSXDJEACXJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35N7O2/c1-16-6-11-25(12-7-16)15-18-21-22-23-26(18)10-3-5-19(28)20-8-13-24-9-2-4-17(27)14-24/h16-17,27H,2-15H2,1H3,(H,20,28)/t17-/m0/s1.
What are the key properties of N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 393.54 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 25483900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).