(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

C23H35N3O3 — CID 118302847

IUPAC(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C23H35N3O3/c1-29-17-23(16-24-21-15-20(21)18-5-3-2-4-6-18)9-13-26(14-10-23)22(28)25-11-7-19(27)8-12-25/h2-6,19-21,24,27H,7-17H2,1H3/t20?,21-/m1/s1
InChIKeyQIQCCTGHPWVZSM-BPGUCPLFSA-N
MW401.55 g/mol
LogP2.44
Rot. Bonds6

About (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 118302847) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID118302847
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C23H35N3O3/c1-29-17-23(16-24-21-15-20(21)18-5-3-2-4-6-18)9-13-26(14-10-23)22(28)25-11-7-19(27)8-12-25/h2-6,19-21,24,27H,7-17H2,1H3/t20?,21-/m1/s1
InChIKeyQIQCCTGHPWVZSM-BPGUCPLFSA-N
XLogP2.44
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (CID 118302847) is (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is COCC1(CN[C@@H]2CC2c2ccccc2)CCN(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is QIQCCTGHPWVZSM-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-29-17-23(16-24-21-15-20(21)18-5-3-2-4-6-18)9-13-26(14-10-23)22(28)25-11-7-19(27)8-12-25/h2-6,19-21,24,27H,7-17H2,1H3/t20?,21-/m1/s1.
What are the key properties of (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
(4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 401.55 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118302847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).